tert-butyl 3-chloranyl-4-oxidanylidene-3-phenylsulfanyl-pentanoate

Systemtic Name: tert-butyl 3-chloranyl-4-oxidanylidene-3-phenylsulfanyl-pentanoate Openeye Name: tert-butyl 3-chloro-4-oxo-3-phenylsulfanyl-pentanoate CAS Name: 3-chloro-4-oxo-3-(phenylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-chloro-4-oxo-3-phenylsulfanylpentanoate Traditional Name: 3-chloro-4-keto-3-(phenylthio)valeric acid tert-butyl ester Formula: C15H19ClO3S MolecularWeight: 314.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(=O)OC(C)(C)C)(SC1=CC=CC=C1)Cl

Isomeric SMILES

CC(=O)C(CC(=O)OC(C)(C)C)(SC1=CC=CC=C1)Cl

InChI

InChI=1S/C15H19ClO3S/c1-11(17)15(16,10-13(18)19-14(2,3)4)20-12-8-6-5-7-9-12/h5-9H,10H2,1-4H3